2-azanyl-3-(2-azanyl-4-oxidanylidene-3,1-benzoxazin-6-yl)-2-(phenylmethyl)-4-pyridin-3-yl-butanal

Systemtic Name: 2-azanyl-3-(2-azanyl-4-oxidanylidene-3,1-benzoxazin-6-yl)-2-(phenylmethyl)-4-pyridin-3-yl-butanal Openeye Name: 2-amino-3-(2-amino-4-oxo-3,1-benzoxazin-6-yl)-2-benzyl-4-(3-pyridyl)butanal CAS Name: 2-amino-3-(2-amino-4-oxo-3,1-benzoxazin-6-yl)-2-(phenylmethyl)-4-(3-pyridinyl)butanal IUPAC Name: 2-amino-3-(2-amino-4-oxo-3,1-benzoxazin-6-yl)-2-benzyl-4-pyridin-3-ylbutanal Traditional Name: 2-amino-3-(2-amino-4-keto-3,1-benzoxazin-6-yl)-2-benzyl-4-(3-pyridyl)butyraldehyde Formula: C24H22N4O3 MolecularWeight: 414.45648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C=O)(C(CC2=CN=CC=C2)C3=CC4=C(C=C3)N=C(OC4=O)N)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C=O)(C(CC2=CN=CC=C2)C3=CC4=C(C=C3)N=C(OC4=O)N)N

InChI

InChI=1S/C24H22N4O3/c25-23-28-21-9-8-18(12-19(21)22(30)31-23)20(11-17-7-4-10-27-14-17)24(26,15-29)13-16-5-2-1-3-6-16/h1-10,12,14-15,20H,11,13,26H2,(H2,25,28)