N-[4-[(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-propyl-amino]butyl]-4-phenyl-benzamide

Systemtic Name: N-[4-[(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-propyl-amino]butyl]-4-phenyl-benzamide Openeye Name: N-[4-[(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-propyl-amino]butyl]-4-phenyl-benzamide CAS Name: N-[4-[(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-propylamino]butyl]-4-phenylbenzamide IUPAC Name: N-[4-[(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-propylamino]butyl]-4-phenylbenzamide Traditional Name: N-[4-[(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-propyl-amino]butyl]-4-phenyl-benzamide Formula: C29H36N4O MolecularWeight: 456.62234

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCNC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)C3CCC4=NC(=NC=C4C3)C

Isomeric SMILES

CCCN(CCCCNC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)C3CCC4=NC(=NC=C4C3)C

InChI

InChI=1S/C29H36N4O/c1-3-18-33(27-15-16-28-26(20-27)21-31-22(2)32-28)19-8-7-17-30-29(34)25-13-11-24(12-14-25)23-9-5-4-6-10-23/h4-6,9-14,21,27H,3,7-8,15-20H2,1-2H3,(H,30,34)