(E)-N-[(2S)-1-azanyl-3-(4-phenylphenyl)propan-2-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide dihydrochloride

Systemtic Name: (E)-N-[(2S)-1-azanyl-3-(4-phenylphenyl)propan-2-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide dihydrochloride Openeye Name: (E)-N-[(1S)-1-(aminomethyl)-2-(4-phenylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide dihydrochloride CAS Name: (E)-N-[(2S)-1-amino-3-(4-phenylphenyl)propan-2-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-propenamide dihydrochloride IUPAC Name: (E)-N-[(2S)-1-amino-3-(4-phenylphenyl)propan-2-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide dihydrochloride Traditional Name: (E)-N-[(1S)-1-(aminomethyl)-2-(4-phenylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)acrylamide dihydrochloride Formula: C25H26Cl2N4O MolecularWeight: 469.40614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(CN)NC(=O)C=CC3=CNC4=C3C=CC=N4.Cl.Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C[C@@H](CN)NC(=O)/C=C/C3=CNC4=C3C=CC=N4.Cl.Cl

InChI

InChI=1S/C25H24N4O.2ClH/c26-16-22(15-18-8-10-20(11-9-18)19-5-2-1-3-6-19)29-24(30)13-12-21-17-28-25-23(21)7-4-14-27-25;;/h1-14,17,22H,15-16,26H2,(H,27,28)(H,29,30);2*1H/b13-12+;;/t22-;;/m0../s1