N-[(2S)-5-[bis(2-hydroxyethyl)amino]-1-(1-naphthalen-1-ylethylamino)-1-oxidanylidene-pentan-2-yl]-4-[(pyridin-2-ylmethylamino)methyl]benzamide

Systemtic Name: N-[(2S)-5-[bis(2-hydroxyethyl)amino]-1-(1-naphthalen-1-ylethylamino)-1-oxidanylidene-pentan-2-yl]-4-[(pyridin-2-ylmethylamino)methyl]benzamide Openeye Name: N-[(1S)-4-[bis(2-hydroxyethyl)amino]-1-[1-(1-naphthyl)ethylcarbamoyl]butyl]-4-[(2-pyridylmethylamino)methyl]benzamide CAS Name: N-[(2S)-5-[bis(2-hydroxyethyl)amino]-1-[1-(1-naphthalenyl)ethylamino]-1-oxopentan-2-yl]-4-[(2-pyridinylmethylamino)methyl]benzamide IUPAC Name: N-[(2S)-5-[bis(2-hydroxyethyl)amino]-1-(1-naphthalen-1-ylethylamino)-1-oxopentan-2-yl]-4-[(pyridin-2-ylmethylamino)methyl]benzamide Traditional Name: N-[(1S)-4-[bis(2-hydroxyethyl)amino]-1-[1-(1-naphthyl)ethylcarbamoyl]butyl]-4-[(2-pyridylmethylamino)methyl]benzamide Formula: C35H43N5O4 MolecularWeight: 597.74702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C(CCCN(CCO)CCO)NC(=O)C3=CC=C(C=C3)CNCC4=CC=CC=N4

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)[C@H](CCCN(CCO)CCO)NC(=O)C3=CC=C(C=C3)CNCC4=CC=CC=N4

InChI

InChI=1S/C35H43N5O4/c1-26(31-12-6-9-28-8-2-3-11-32(28)31)38-35(44)33(13-7-19-40(20-22-41)21-23-42)39-34(43)29-16-14-27(15-17-29)24-36-25-30-10-4-5-18-37-30/h2-6,8-12,14-18,26,33,36,41-42H,7,13,19-25H2,1H3,(H,38,44)(H,39,43)/t26?,33-/m0/s1