4-azanyl-N-[3-(phenylazanylmethyl)-2H-indazol-5-yl]-2-(3-phenylmethoxyphenyl)butanamide

Systemtic Name: 4-azanyl-N-[3-(phenylazanylmethyl)-2H-indazol-5-yl]-2-(3-phenylmethoxyphenyl)butanamide Openeye Name: 4-amino-N-[3-(anilinomethyl)-2H-indazol-5-yl]-2-(3-benzyloxyphenyl)butanamide CAS Name: 4-amino-N-[3-(anilinomethyl)-2H-indazol-5-yl]-2-(3-phenylmethoxyphenyl)butanamide IUPAC Name: 4-amino-N-[3-(anilinomethyl)-2H-indazol-5-yl]-2-(3-phenylmethoxyphenyl)butanamide Traditional Name: 4-amino-N-[3-(anilinomethyl)-2H-indazol-5-yl]-2-(3-benzoxyphenyl)butyramide Formula: C31H31N5O2 MolecularWeight: 505.61014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)C(CCN)C(=O)NC3=CC4=C(NN=C4C=C3)CNC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)C(CCN)C(=O)NC3=CC4=C(NN=C4C=C3)CNC5=CC=CC=C5

InChI

InChI=1S/C31H31N5O2/c32-17-16-27(23-10-7-13-26(18-23)38-21-22-8-3-1-4-9-22)31(37)34-25-14-15-29-28(19-25)30(36-35-29)20-33-24-11-5-2-6-12-24/h1-15,18-19,27,33H,16-17,20-21,32H2,(H,34,37)(H,35,36)